SCHEMBL7647683

SCHEMBL7647683

Cc1ccc(C2(CCCN3Cc4ccccc4C3)OCCO2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR7 P34969 4/20 0.40
HTR1A P08908 3/20 0.40
DRD2 P14416 1/20 0.40
HTR2C P28335 1/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 1/20 0.40
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
USP2 O75604 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
DRD3 P35462 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7653024 0.86 KDM4E (0.47) ALDH1A1CYP1A2CYP2D6CYP2C19HTR7
SCHEMBL7653427 0.86 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2D6CYP2C19HTR7
SCHEMBL7653473 0.79 HTR7 (0.56) CYP1A2CYP2D6CYP2C19HTR7HTR1A
SCHEMBL11235787 0.73 MAOB (0.34) LMNA
SCHEMBL4613107 0.73 L3MBTL1 (0.33) LMNAKMT2A
SCHEMBL17818423 0.72 L3MBTL1 (0.35) LMNA
SCHEMBL2084122 0.72 CNR1 (0.40)
SCHEMBL11241311 0.72 L3MBTL1 (0.32) LMNA
SCHEMBL11230230 0.71 QPCT (0.51) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL11242731 0.70 L3MBTL1 (0.34) ALDH1A1CYP2D6CYP2C19HTR7HTR1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010041714-A1 5-HT7 receptor antagonists CAIN GARY A (US) 2001-11-15 US claimed
US-6486173-B2 SEROTONIN-7 (5-HT7); TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS SLEEP DISORDERS, DEPRESSION AND SCHIZOPHRENIA; FOR EXAMPLE 1,3-DIHYDRO-2-((4-(4-FLUOROPHENYL)-4-OXOBUTYL))ISOINDOLE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-26 US disclosed
US-20010041714-A1 5-HT7 receptor antagonists CAIN GARY A (US) 2001-11-15 US disclosed
US-6239143-B1 TREATMENT CNS DISORDERS SUCH AS ANXIETY, DEPRESSION, SLEEP DISORDERS, AND SCHIZOPHRENIA. DUPONT PHARMACEUTICALS COMPANY 2001-05-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20010041714-A1 5-HT7 receptor antagonists HTR7, HTR5A, HTR1A ALDH1A1 2592/4885CYP1A2 685/4885CYP2D6 491/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.